CAS 636-09-9 Diethyl terephthalate (HCID 12483)

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Basic information

CAS: 636-09-9
Standard SMILES: CCOC(=O)c1ccc(C(=O)OCC)cc1
InChIKey: ONIHPYYWNBVMID-UHFFFAOYSA-N
Molecular formula: C12H14O4
Average molar mass: 222.24 g/mol
Monoisotopic mass: 222.08920892

Names & identifiers

Preferred name: Diethyl terephthalate
IUPAC: diethyl benzene-1,4-dicarboxylate
English name: Diethyl terephthalate
Molecular formula: C12H14O4
Molecular weight: 222.24

Names & synonyms

DIETHYL TEREPHTHALATE636-09-9p-Diethyl phthalate1,4-Benzenedicarboxylic acid, diethyl esterTerephthalic acid, diethyl ester1,4-Benzenedicarboxylic acid, 1,4-diethyl esterN97X85L3CDNSC-68816DTXSID8060909RefChem:133450DTXCID6044014211-249-1

Show more names

diethylp-phthalateRARECHEM AL BI 0108Ethyl terephthalatediethyl1,4-benzenedioateDiethylterephthalate,95%Diethyl terephthalate,98%Terephthalic acid diethylDiethyl Terephthalate >

Terephthalic Acid Diethyl Esterdiethyl benzene-1,4-dicarboxylateDiethyl p-phthalateMFCD00039891EINECS 211-249-1NSC 688161,4-diethyl benzene-1,4-dicarboxylateBRN 0650906

Database identifiers

CAS: 636-09-9
PubChem CID: 12483
DTXSID: DTXSID8060909
UNII: N97X85L3CD
EC Number: 211-249-1
Nikkaji: J38.974I

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 52.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 16
Formal charge: 0
Complexity: 215

Experimental & physicochemical properties

SpringerMaterials PropertiesBoiling point

PlasticizersPlasticizer

Physicochemical properties

Melting point: 42 · 42-45 °C
Boiling point: 302 °C · 302 °C
Density: 1.11 · 1.11
refractive index: 1.456 · 1.4560 (estimate)
Flash point: 117 °C · 117 °C
storage temp.: 2 · 2-8°C
solubility: Chloroform (Slightly), Ethyl Acetate (Slightly)
form: Crystalline Low Melting Solid
color: White
CAS DataBase Reference: 636 · 636-09-9(CAS DataBase Reference)
FDA UNII: 97 X85L3CD · N97X85L3CD
EPA Substance Registry System

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 12 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

tsca: TSCA listed
rtecs: WZ1223400
hs_code: 29173990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 24/25
Hazard statements: H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1,4-Benzenedicarboxylic acid, 1,4-diethyl ester: INACTIVE

Applications

UsesDiethyl Terephthalate is a diester compound formed from terephthalic acid (T112500). Diethyl Terephthalate is used in the production of polyesters.